SCHEMBL222074

SCHEMBL222074

CC(C)(C)C/C=N/CC(=O)OC(C)(C)C

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL659374 1.00 HDAC3 (0.32) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL2151168 1.00 HDAC3 (0.32) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL12574484 0.84
SCHEMBL29257618 0.84 ALDH1A1 (0.31)
SCHEMBL29257617 0.84 ALDH1A1 (0.31)
SCHEMBL2152321 0.84 CYP2D6 (0.33) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL2152196 0.84 ALDH1A1 (0.31)
SCHEMBL29257621 0.84 ALDH1A1 (0.31)
SCHEMBL2151802 0.84 ALDH1A1 (0.31)
SCHEMBL362705 0.82 TSHR (0.41)

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 56 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118047784-A Small molecule compound with substituted phenyl spiro [ indoline-3, 3' -pyrrolidine ] structure 中国科学院上海药物研究所 2024-05-17 CN disclosed
CN-115215872-A Small molecule compound with substituted phenyl spiro [ indoline-3, 3' -pyrrolidine ] structure 中国科学院上海药物研究所 2022-10-21 CN disclosed
WO-2022218379-A1 SMALL-MOLECULE COMPOUND HAVING SUBSTITUTED PHENYL SPIRO[INDOLINE-3,3'-PYRROLIDINE] STRUCTURE 中国科学院上海药物研究所 2022-10-20 WO disclosed
EP-2534132-B1 SUBSTITUTED PYRROLIDINE-2-CARBOXAMIDES HOFFMANN LA ROCHE (CH) 2017-04-26 EP disclosed
EP-2534132-B1 SUBSTITUTED PYRROLIDINE-2-CARBOXAMIDES HOFFMANN LA ROCHE (CH) 2017-04-26 EP disclosed
EP-2507243-B1 SPIROINDOLINONE PYRROLIDINES HOFFMANN LA ROCHE (CH) 2015-06-10 EP disclosed
EP-2507243-B1 SPIROINDOLINONE PYRROLIDINES HOFFMANN LA ROCHE (CH) 2015-06-10 EP disclosed
US-8354444-B2 Substituted pyrrolidine-2-carboxamides HOFFMANN-LA ROCHE INC. (US) 2013-01-15 US disclosed
US-8354444-B2 Substituted pyrrolidine-2-carboxamides HOFFMANN-LA ROCHE INC. (US) 2013-01-15 US disclosed
US-8354444-B2 Substituted pyrrolidine-2-carboxamides HOFFMANN-LA ROCHE INC. (US) 2013-01-15 US disclosed
WO-2011061139-A1 SUBSTITUTED PYRROLIDINE-2-CARBOXAMIDES F. HOFFMANN-LA ROCHE AG (CH) 2011-05-26 WO disclosed
US-20110118283-A1 Substituted Pyrrolidine-2-Carboxamides DING QINGJIE 2011-05-19 US disclosed
US-20110118283-A1 Substituted Pyrrolidine-2-Carboxamides DING QINGJIE 2011-05-19 US disclosed
US-20110118283-A1 Substituted Pyrrolidine-2-Carboxamides DING QINGJIE 2011-05-19 US disclosed
US-20100152190-A1 Substituted Pyrrolidine-2-Carboxamides F. HOFFMANN-LA ROCHE AG (CH) 2010-06-17 US disclosed
US-20100152190-A1 Substituted Pyrrolidine-2-Carboxamides F. HOFFMANN-LA ROCHE AG (CH) 2010-06-17 US disclosed
US-20100152190-A1 Substituted Pyrrolidine-2-Carboxamides F. HOFFMANN-LA ROCHE AG (CH) 2010-06-17 US disclosed
WO-2010031713-A1 SUBSTITUTED PYRROLIDINE-2-CARBOXAMIDES F. HOFFMANN-LA ROCHE AG (CH) 2010-03-25 WO disclosed
US-20100075948-A1 Substituted Pyrrolidine-2-Carboxamides DING QINGJIE 2010-03-25 US disclosed
US-20100075948-A1 Substituted Pyrrolidine-2-Carboxamides DING QINGJIE 2010-03-25 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100152190-A1 Substituted Pyrrolidine-2-Carboxamides ARG2, CCNY, PYCR1 HDAC3 100/4885HDAC1 57/4885HDAC2 122/4885
US-20110118283-A1 Substituted Pyrrolidine-2-Carboxamides ARG2, CPS1, PRMT3 HDAC3 63/4885HDAC1 35/4885HDAC2 44/4885
US-20100075948-A1 Substituted Pyrrolidine-2-Carboxamides ARG2, CCNY, PYCR1 HDAC3 100/4885HDAC1 57/4885HDAC2 122/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.